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Information card for entry 7151739
Preview
| Coordinates | 7151739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H23 Br N2 O6 |
|---|---|
| Calculated formula | C24 H23 Br N2 O6 |
| SMILES | Brc1ccc2[C@@H](O)[C@H](N(c3c(oc(C(=O)OC)c3C(=O)OC)c2c1)C(C)C)c1ncccc1.Brc1ccc2[C@H](O)[C@@H](N(c3c(oc(C(=O)OC)c3C(=O)OC)c2c1)C(C)C)c1ncccc1 |
| Title of publication | The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines. |
| Authors of publication | Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2166 - 2174 |
| a | 8.558 ± 0.0012 Å |
| b | 15.813 ± 0.002 Å |
| c | 16.673 ± 0.002 Å |
| α | 90° |
| β | 98.473 ± 0.005° |
| γ | 90° |
| Cell volume | 2231.7 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180303 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151739.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151739.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151739.cif |
| 21248 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151739, 7151740, 7151741 via cif-deposit CGI script. |
7151739.cif |
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